4-[3-(6-methoxy-3-pyridinyl)-2-thiophen-3-yl-1-benzofuran-5-yl]morpholine

C22H20N2O3S — CID 24747930

IUPAC4-[3-(6-methoxy-3-pyridinyl)-2-thiophen-3-yl-1-benzofuran-5-yl]morpholine
SMILESCOc1ccc(-c2c(-c3ccsc3)oc3ccc(N4CCOCC4)cc23)cn1
InChIInChI=1S/C22H20N2O3S/c1-25-20-5-2-15(13-23-20)21-18-12-17(24-7-9-26-10-8-24)3-4-19(18)27-22(21)16-6-11-28-14-16/h2-6,11-14H,7-10H2,1H3
InChIKeyDICBBKQWBAOSPX-UHFFFAOYSA-N
MW392.48 g/mol
LogP5.07
Rot. Bonds4

About 4-[3-(6-methoxy-3-pyridinyl)-2-thiophen-3-yl-1-benzofuran-5-yl]morpholine

4-[3-(6-methoxy-3-pyridinyl)-2-thiophen-3-yl-1-benzofuran-5-yl]morpholine (PubChem CID 24747930) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-[3-(6-methoxy-3-pyridinyl)-2-thiophen-3-yl-1-benzofuran-5-yl]morpholine.

Molecular Properties

Compound Name4-[3-(6-methoxy-3-pyridinyl)-2-thiophen-3-yl-1-benzofuran-5-yl]morpholine
PubChem CID24747930
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name4-[3-(6-methoxy-3-pyridinyl)-2-thiophen-3-yl-1-benzofuran-5-yl]morpholine
SMILESCOc1ccc(-c2c(-c3ccsc3)oc3ccc(N4CCOCC4)cc23)cn1
InChIInChI=1S/C22H20N2O3S/c1-25-20-5-2-15(13-23-20)21-18-12-17(24-7-9-26-10-8-24)3-4-19(18)27-22(21)16-6-11-28-14-16/h2-6,11-14H,7-10H2,1H3
InChIKeyDICBBKQWBAOSPX-UHFFFAOYSA-N
XLogP5.07
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.48
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(6-methoxy-3-pyridinyl)-2-thiophen-3-yl-1-benzofuran-5-yl]morpholine?
The IUPAC name of 4-[3-(6-methoxy-3-pyridinyl)-2-thiophen-3-yl-1-benzofuran-5-yl]morpholine (CID 24747930) is 4-[3-(6-methoxy-3-pyridinyl)-2-thiophen-3-yl-1-benzofuran-5-yl]morpholine.
What is the SMILES notation for 4-[3-(6-methoxy-3-pyridinyl)-2-thiophen-3-yl-1-benzofuran-5-yl]morpholine?
The canonical SMILES for 4-[3-(6-methoxy-3-pyridinyl)-2-thiophen-3-yl-1-benzofuran-5-yl]morpholine is COc1ccc(-c2c(-c3ccsc3)oc3ccc(N4CCOCC4)cc23)cn1.
What is the InChIKey of 4-[3-(6-methoxy-3-pyridinyl)-2-thiophen-3-yl-1-benzofuran-5-yl]morpholine?
The InChIKey is DICBBKQWBAOSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-25-20-5-2-15(13-23-20)21-18-12-17(24-7-9-26-10-8-24)3-4-19(18)27-22(21)16-6-11-28-14-16/h2-6,11-14H,7-10H2,1H3.
What are the key properties of 4-[3-(6-methoxy-3-pyridinyl)-2-thiophen-3-yl-1-benzofuran-5-yl]morpholine?
4-[3-(6-methoxy-3-pyridinyl)-2-thiophen-3-yl-1-benzofuran-5-yl]morpholine has a molecular weight of 392.48 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6-methoxy-3-pyridinyl)-2-thiophen-3-yl-1-benzofuran-5-yl]morpholine is sourced from PubChem (CID 24747930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).